From 94885c2402d146005d3e0d881a67462046c75e18 Mon Sep 17 00:00:00 2001 From: Ashwin Kumar Karnad <46030335+iamashwin99@users.noreply.github.com> Date: Wed, 10 Jan 2024 21:43:13 +0100 Subject: [PATCH] bigdft: convert the use of format strings to fstrings. (#42006) * bigdft: convert the use of format strings to fstrings everywhere * Fix formatting * reformat with black * Update compiler flags in bigdft-core * Revert "Update compiler flags in bigdft-core" This reverts commit f7524ed78449b16163c92bf0ccc8b0dd473039dc. --- .../builtin/packages/bigdft-atlab/package.py | 30 ++++----- .../builtin/packages/bigdft-chess/package.py | 38 +++++------ .../builtin/packages/bigdft-core/package.py | 65 +++++++++---------- .../builtin/packages/bigdft-futile/package.py | 26 ++++---- .../packages/bigdft-libabinit/package.py | 32 +++++---- .../packages/bigdft-psolver/package.py | 36 +++++----- .../builtin/packages/bigdft-spred/package.py | 40 ++++++------ 7 files changed, 135 insertions(+), 132 deletions(-) diff --git a/var/spack/repos/builtin/packages/bigdft-atlab/package.py b/var/spack/repos/builtin/packages/bigdft-atlab/package.py index af1500f4c0..c74113c0dc 100644 --- a/var/spack/repos/builtin/packages/bigdft-atlab/package.py +++ b/var/spack/repos/builtin/packages/bigdft-atlab/package.py @@ -33,7 +33,7 @@ class BigdftAtlab(AutotoolsPackage): depends_on("openbabel", when="+openbabel") for vers in ["1.9.0", "1.9.1", "1.9.2", "develop"]: - depends_on("bigdft-futile@{0}".format(vers), when="@{0}".format(vers)) + depends_on(f"bigdft-futile@{vers}", when=f"@{vers}") configure_directory = "atlab" @@ -56,24 +56,24 @@ def configure_args(self): fcflags.append("-fallow-argument-mismatch") args = [ - "FCFLAGS=%s" % " ".join(fcflags), - "CFLAGS=%s" % " ".join(cflags), - "CXXFLAGS=%s" % " ".join(cxxflags), - "--with-futile-libs=%s" % spec["bigdft-futile"].libs.ld_flags, - "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags + "/futile", - "--with-moduledir=%s" % prefix.include, - "--prefix=%s" % prefix, + f"FCFLAGS={' '.join(fcflags)}", + f"CFLAGS={' '.join(cflags)}", + f"CXXFLAGS={' '.join(cxxflags)}", + f"--with-futile-libs={spec['bigdft-futile'].libs.ld_flags}", + f"--with-futile-incs={spec['bigdft-futile'].headers.include_flags}/futile", + f"--with-moduledir={prefix.include}", + f"--prefix={prefix}", "--without-etsf-io", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") if "+mpi" in spec: - args.append("CC=%s" % spec["mpi"].mpicc) - args.append("CXX=%s" % spec["mpi"].mpicxx) - args.append("FC=%s" % spec["mpi"].mpifc) - args.append("F90=%s" % spec["mpi"].mpifc) - args.append("F77=%s" % spec["mpi"].mpif77) + args.append(f"CC={spec['mpi'].mpicc}") + args.append(f"CXX={spec['mpi'].mpicxx}") + args.append(f"FC={spec['mpi'].mpifc}") + args.append(f"F90={spec['mpi'].mpifc}") + args.append(f"F77={spec['mpi'].mpif77}") else: args.append("--disable-mpi") @@ -84,8 +84,8 @@ def configure_args(self): if "+openbabel" in spec: args.append("--enable-openbabel") - args.append("--with-openbabel-libs=%s" % spec["openbabel"].prefix.lib) - args.append("--with-openbabel-incs=%s" % spec["openbabel"].prefix.include) + args.append(f"--with-openbabel-libs={spec['openbabel'].prefix.lib}") + args.append(f"--with-openbabel-incs={spec['openbabel'].prefix.include}") return args diff --git a/var/spack/repos/builtin/packages/bigdft-chess/package.py b/var/spack/repos/builtin/packages/bigdft-chess/package.py index 5ff540f7c8..dc5ba9362a 100644 --- a/var/spack/repos/builtin/packages/bigdft-chess/package.py +++ b/var/spack/repos/builtin/packages/bigdft-chess/package.py @@ -43,8 +43,8 @@ class BigdftChess(AutotoolsPackage, CudaPackage): # depends_on('netlib-minpack', when='+minpack') for vers in ["1.9.0", "1.9.1", "1.9.2", "develop"]: - depends_on("bigdft-futile@{0}".format(vers), when="@{0}".format(vers)) - depends_on("bigdft-atlab@{0}".format(vers), when="@{0}".format(vers)) + depends_on(f"bigdft-futile@{vers}", when=f"@{vers}") + depends_on(f"bigdft-atlab@{vers}", when=f"@{vers}") configure_directory = "chess" @@ -53,7 +53,7 @@ def configure_args(self): prefix = self.prefix python_version = spec["python"].version.up_to(2) - pyyaml = join_path(spec["py-pyyaml"].prefix.lib, "python{0}".format(python_version)) + pyyaml = join_path(spec["py-pyyaml"].prefix.lib, f"python{python_version}") openmp_flag = [] if "+openmp" in spec: @@ -66,25 +66,25 @@ def configure_args(self): linalg.append(spec["blas"].libs.ld_flags) args = [ - "FCFLAGS=%s" % " ".join(openmp_flag), - "LDFLAGS=%s" % " ".join(linalg), - "--with-ext-linalg=%s" % " ".join(linalg), - "--with-pyyaml-path=%s" % pyyaml, - "--with-futile-libs=%s" % spec["bigdft-futile"].libs.ld_flags, - "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags, - "--with-moduledir=%s" % prefix.include, - "--prefix=%s" % prefix, + f"FCFLAGS={' '.join(openmp_flag)}", + f"LDFLAGS={' '.join(linalg)}", + f"--with-ext-linalg={' '.join(linalg)}", + f"--with-pyyaml-path={pyyaml}", + f"--with-futile-libs={spec['bigdft-futile'].libs.ld_flags}", + f"--with-futile-incs={spec['bigdft-futile'].headers.include_flags}", + f"--with-moduledir={prefix.include}", + f"--prefix={prefix}", "--without-etsf-io", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") if "+mpi" in spec: - args.append("CC=%s" % spec["mpi"].mpicc) - args.append("CXX=%s" % spec["mpi"].mpicxx) - args.append("FC=%s" % spec["mpi"].mpifc) - args.append("F90=%s" % spec["mpi"].mpifc) - args.append("F77=%s" % spec["mpi"].mpif77) + args.append(f"CC={spec['mpi'].mpicc}") + args.append(f"CXX={spec['mpi'].mpicxx}") + args.append(f"FC={spec['mpi'].mpifc}") + args.append(f"F90={spec['mpi'].mpifc}") + args.append(f"F77={spec['mpi'].mpif77}") else: args.append("--disable-mpi") @@ -93,12 +93,12 @@ def configure_args(self): else: args.append("--without-openmp") - args.append("--with-atlab-libs=%s" % spec["bigdft-atlab"].prefix.lib) + args.append(f"--with-atlab-libs={spec['bigdft-atlab'].prefix.lib}") if "+cuda" in spec: args.append("--enable-cuda-gpu") - args.append("--with-cuda-path=%s" % spec["cuda"].prefix) - args.append("--with-cuda-libs=%s" % spec["cuda"].libs.link_flags) + args.append(f"--with-cuda-path={spec['cuda'].prefix}") + args.append(f"--with-cuda-libs={spec['cuda'].libs.link_flags}") if "+minpack" in spec: args.append("--with-minpack") diff --git a/var/spack/repos/builtin/packages/bigdft-core/package.py b/var/spack/repos/builtin/packages/bigdft-core/package.py index 90146355ee..834b65f377 100644 --- a/var/spack/repos/builtin/packages/bigdft-core/package.py +++ b/var/spack/repos/builtin/packages/bigdft-core/package.py @@ -45,10 +45,10 @@ class BigdftCore(AutotoolsPackage, CudaPackage): depends_on("libxc@:4.3.4", when="@develop") for vers in ["1.9.0", "1.9.1", "1.9.2", "develop"]: - depends_on("bigdft-futile@{0}".format(vers), when="@{0}".format(vers)) - depends_on("bigdft-chess@{0}".format(vers), when="@{0}".format(vers)) - depends_on("bigdft-psolver@{0}".format(vers), when="@{0}".format(vers)) - depends_on("bigdft-libabinit@{0}".format(vers), when="@{0}".format(vers)) + depends_on(f"bigdft-futile@{vers}", when=f"@{vers}") + depends_on(f"bigdft-chess@{vers}", when=f"@{vers}") + depends_on(f"bigdft-psolver@{vers}", when=f"@{vers}") + depends_on(f"bigdft-libabinit@{vers}", when=f"@{vers}") configure_directory = "bigdft" @@ -57,7 +57,7 @@ def configure_args(self): prefix = self.prefix python_version = spec["python"].version.up_to(2) - pyyaml = join_path(spec["py-pyyaml"].prefix.lib, "python{0}".format(python_version)) + pyyaml = join_path(spec["py-pyyaml"].prefix.lib, f"python{python_version}") openmp_flag = [] if "+openmp" in spec: @@ -70,35 +70,34 @@ def configure_args(self): linalg.append(spec["blas"].libs.ld_flags) args = [ - "FCFLAGS=%s" % " ".join(openmp_flag), - "--with-ext-linalg=%s" % " ".join(linalg), - "--with-pyyaml-path=%s" % pyyaml, - "--with-futile-libs=%s" % spec["bigdft-futile"].libs.ld_flags, - "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags, - "--with-chess-libs=%s" % spec["bigdft-chess"].libs.ld_flags, - "--with-chess-incs=%s" % spec["bigdft-chess"].headers.include_flags, - "--with-psolver-libs=%s" % spec["bigdft-psolver"].libs.ld_flags, - "--with-psolver-incs=%s" % spec["bigdft-psolver"].headers.include_flags, - "--with-libABINIT-libs=%s" % spec["bigdft-libabinit"].libs.ld_flags, - "--with-libABINIT-incs=%s" % spec["bigdft-libabinit"].headers.include_flags, - "--with-libgain-libs=%s" % spec["libgain"].libs.ld_flags, - "--with-libgain-incs=%s" % spec["libgain"].headers.include_flags, - "--with-libxc-libs=%s %s" - % (spec["libxc"].libs.ld_flags, spec["libxc"].libs.ld_flags + "f90"), - "--with-libxc-incs=%s" % spec["libxc"].headers.include_flags, - "--with-moduledir=%s" % prefix.include, - "--prefix=%s" % prefix, + f"FCFLAGS={' '.join(openmp_flag)}", + f"--with-ext-linalg={' '.join(linalg)}", + f"--with-pyyaml-path={pyyaml}", + f"--with-futile-libs={spec['bigdft-futile'].libs.ld_flags}", + f"--with-futile-incs={spec['bigdft-futile'].headers.include_flags}", + f"--with-chess-libs={spec['bigdft-chess'].libs.ld_flags}", + f"--with-chess-incs={spec['bigdft-chess'].headers.include_flags}", + f"--with-psolver-libs={spec['bigdft-psolver'].libs.ld_flags}", + f"--with-psolver-incs={spec['bigdft-psolver'].headers.include_flags}", + f"--with-libABINIT-libs={spec['bigdft-libabinit'].libs.ld_flags}", + f"--with-libABINIT-incs={spec['bigdft-libabinit'].headers.include_flags}", + f"--with-libgain-libs={spec['libgain'].libs.ld_flags}", + f"--with-libgain-incs={spec['libgain'].headers.include_flags}", + f"--with-libxc-libs={spec['libxc'].libs.ld_flags} {spec['libxc'].libs.ld_flags}f90", + f"--with-libxc-incs={spec['libxc'].headers.include_flags}", + f"--with-moduledir={prefix.include}", + f"--prefix={prefix}", "--without-etsf-io", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") if "+mpi" in spec: - args.append("CC=%s" % spec["mpi"].mpicc) - args.append("CXX=%s" % spec["mpi"].mpicxx) - args.append("FC=%s" % spec["mpi"].mpifc) - args.append("F90=%s" % spec["mpi"].mpifc) - args.append("F77=%s" % spec["mpi"].mpif77) + args.append(f"CC={spec['mpi'].mpicc}") + args.append(f"CXX={spec['mpi'].mpicxx}") + args.append(f"FC={spec['mpi'].mpifc}") + args.append(f"F90={spec['mpi'].mpifc}") + args.append(f"F77={spec['mpi'].mpif77}") else: args.append("--disable-mpi") @@ -109,15 +108,15 @@ def configure_args(self): if "+cuda" in spec: args.append("--enable-opencl") - args.append("--with-ocl-path=%s" % spec["cuda"].prefix) + args.append(f"--with-ocl-path={spec['cuda'].prefix}") args.append("--enable-cuda-gpu") - args.append("--with-cuda-path=%s" % spec["cuda"].prefix) - args.append("--with-cuda-libs=%s" % spec["cuda"].libs.link_flags) + args.append(f"--with-cuda-path={spec['cuda'].prefix}") + args.append(f"--with-cuda-libs={spec['cuda'].libs.link_flags}") if "+openbabel" in spec: args.append("--enable-openbabel") - args.append("--with-openbabel-libs=%s" % spec["openbabel"].prefix.lib) - args.append("--with-openbabel-incs=%s" % spec["openbabel"].prefix.include) + args.append(f"--with-openbabel-libs={spec['openbabel'].prefix.lib}") + args.append(f"--with-openbabel-incs={spec['openbabel'].prefix.include}") return args diff --git a/var/spack/repos/builtin/packages/bigdft-futile/package.py b/var/spack/repos/builtin/packages/bigdft-futile/package.py index 3894c503de..13c2e69495 100644 --- a/var/spack/repos/builtin/packages/bigdft-futile/package.py +++ b/var/spack/repos/builtin/packages/bigdft-futile/package.py @@ -49,18 +49,18 @@ def configure_args(self): linalg = [spec["blas"].libs.ld_flags, spec["lapack"].libs.ld_flags] python_version = spec["python"].version.up_to(2) - pyyaml = join_path(spec["py-pyyaml"].prefix.lib, "python{0}".format(python_version)) + pyyaml = join_path(spec["py-pyyaml"].prefix.lib, f"python{python_version}") openmp_flag = [] if "+openmp" in spec: openmp_flag.append(self.compiler.openmp_flag) args = [ - "FCFLAGS=%s" % " ".join(openmp_flag), - "--with-ext-linalg=%s" % " ".join(linalg), - "--with-yaml-path=%s" % spec["libyaml"].prefix, - "--with-pyyaml-path=%s" % pyyaml, - "--prefix=%s" % prefix, + f"FCFLAGS={' '.join(openmp_flag)}", + f"--with-ext-linalg={' '.join(linalg)}", + f"--with-yaml-path={spec['libyaml'].prefix}", + f"--with-pyyaml-path={pyyaml}", + f"--prefix={prefix}", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") @@ -71,19 +71,19 @@ def configure_args(self): args.append("--without-openmp") if "+mpi" in spec: - args.append("CC=%s" % spec["mpi"].mpicc) - args.append("CXX=%s" % spec["mpi"].mpicxx) - args.append("FC=%s" % spec["mpi"].mpifc) - args.append("F90=%s" % spec["mpi"].mpifc) - args.append("F77=%s" % spec["mpi"].mpif77) + args.append(f"CC={spec['mpi'].mpicc}") + args.append(f"CXX={spec['mpi'].mpicxx}") + args.append(f"FC={spec['mpi'].mpifc}") + args.append(f"F90={spec['mpi'].mpifc}") + args.append(f"F77={spec['mpi'].mpif77}") else: args.append("--disable-mpi") if "+cuda" in spec: args.append("--enable-opencl") - args.append("--with-ocl-path=%s" % spec["cuda"].prefix) + args.append(f"--with-ocl-path={spec['cuda'].prefix}") args.append("--enable-cuda-gpu") - args.append("--with-cuda-path=%s" % spec["cuda"].prefix) + args.append(f"--with-cuda-path={spec['cuda'].prefix}") return args diff --git a/var/spack/repos/builtin/packages/bigdft-libabinit/package.py b/var/spack/repos/builtin/packages/bigdft-libabinit/package.py index 8a514181ae..c88763946b 100644 --- a/var/spack/repos/builtin/packages/bigdft-libabinit/package.py +++ b/var/spack/repos/builtin/packages/bigdft-libabinit/package.py @@ -37,7 +37,7 @@ class BigdftLibabinit(AutotoolsPackage): depends_on("libxc@:4.3.4", when="@1.9.1:") for vers in ["1.9.0", "1.9.1", "1.9.2", "develop"]: - depends_on("bigdft-futile@{0}".format(vers), when="@{0}".format(vers)) + depends_on(f"bigdft-futile@{vers}", when=f"@{vers}") configure_directory = "libABINIT" @@ -50,24 +50,28 @@ def configure_args(self): fcflags.append("-fallow-argument-mismatch") args = [ - "FCFLAGS=%s" % " ".join(fcflags), - "--with-libxc-libs=%s %s" - % (spec["libxc"].libs.ld_flags, spec["libxc"].libs.ld_flags + "f90"), - "--with-libxc-incs=%s" % spec["libxc"].headers.include_flags, - "--with-futile-libs=%s" % spec["bigdft-futile"].libs.ld_flags, - "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags, - "--with-moduledir=%s" % prefix.include, - "--prefix=%s" % prefix, + f"FCFLAGS={' '.join(fcflags)}", + f"--with-libxc-libs={spec['libxc'].libs.ld_flags} " + f"{spec['libxc'].libs.ld_flags + 'f90'}", + f"--with-libxc-incs={spec['libxc'].headers.include_flags}", + f"--with-futile-libs={spec['bigdft-futile'].libs.ld_flags}", + f"--with-futile-incs={spec['bigdft-futile'].headers.include_flags}", + f"--with-moduledir={prefix.include}", + f"--prefix={prefix}", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") if "+mpi" in spec: - args.append("CC=%s" % spec["mpi"].mpicc) - args.append("CXX=%s" % spec["mpi"].mpicxx) - args.append("FC=%s" % spec["mpi"].mpifc) - args.append("F90=%s" % spec["mpi"].mpifc) - args.append("F77=%s" % spec["mpi"].mpif77) + args.extend( + [ + f"CC={spec['mpi'].mpicc}", + f"CXX={spec['mpi'].mpicxx}", + f"FC={spec['mpi'].mpifc}", + f"F90={spec['mpi'].mpifc}", + f"F77={spec['mpi'].mpif77}", + ] + ) else: args.append("--disable-mpi") diff --git a/var/spack/repos/builtin/packages/bigdft-psolver/package.py b/var/spack/repos/builtin/packages/bigdft-psolver/package.py index b97a5fee0d..2ee1ab488f 100644 --- a/var/spack/repos/builtin/packages/bigdft-psolver/package.py +++ b/var/spack/repos/builtin/packages/bigdft-psolver/package.py @@ -40,8 +40,8 @@ class BigdftPsolver(AutotoolsPackage, CudaPackage): depends_on("scalapack", when="+scalapack") for vers in ["1.9.0", "1.9.1", "1.9.2", "develop"]: - depends_on("bigdft-futile@{0}".format(vers), when="@{0}".format(vers)) - depends_on("bigdft-atlab@{0}".format(vers), when="@{0}".format(vers)) + depends_on(f"bigdft-futile@{vers}", when=f"@{vers}") + depends_on(f"bigdft-atlab@{vers}", when=f"@{vers}") configure_directory = "psolver" @@ -50,7 +50,7 @@ def configure_args(self): prefix = self.prefix python_version = spec["python"].version.up_to(2) - pyyaml = join_path(spec["py-pyyaml"].prefix.lib, "python{0}".format(python_version)) + pyyaml = join_path(spec["py-pyyaml"].prefix.lib, f"python{python_version}") openmp_flag = [] if "+openmp" in spec: @@ -63,24 +63,24 @@ def configure_args(self): linalg.append(spec["blas"].libs.ld_flags) args = [ - "FCFLAGS=%s" % " ".join(openmp_flag), - "--with-ext-linalg=%s" % " ".join(linalg), - "--with-pyyaml-path=%s" % pyyaml, - "--with-futile-libs=%s" % spec["bigdft-futile"].libs.ld_flags, - "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags, - "--with-moduledir=%s" % prefix.include, - "--prefix=%s" % prefix, + f"FCFLAGS={' '.join(openmp_flag)}", + f"--with-ext-linalg={' '.join(linalg)}", + f"--with-pyyaml-path={pyyaml}", + f"--with-futile-libs={spec['bigdft-futile'].libs.ld_flags}", + f"--with-futile-incs={spec['bigdft-futile'].headers.include_flags}", + f"--with-moduledir={prefix.include}", + f"--prefix={prefix}", "--without-etsf-io", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") if "+mpi" in spec: - args.append("CC=%s" % spec["mpi"].mpicc) - args.append("CXX=%s" % spec["mpi"].mpicxx) - args.append("FC=%s" % spec["mpi"].mpifc) - args.append("F90=%s" % spec["mpi"].mpifc) - args.append("F77=%s" % spec["mpi"].mpif77) + args.append(f"CC={spec['mpi'].mpicc}") + args.append(f"CXX={spec['mpi'].mpicxx}") + args.append(f"FC={spec['mpi'].mpifc}") + args.append(f"F90={spec['mpi'].mpifc}") + args.append(f"F77={spec['mpi'].mpif77}") else: args.append("--disable-mpi") @@ -89,12 +89,12 @@ def configure_args(self): else: args.append("--without-openmp") - args.append("--with-atlab-libs=%s" % spec["bigdft-atlab"].prefix.lib) + args.append(f"--with-atlab-libs={spec['bigdft-atlab'].prefix.lib}") if "+cuda" in spec: args.append("--enable-cuda-gpu") - args.append("--with-cuda-path=%s" % spec["cuda"].prefix) - args.append("--with-cuda-libs=%s" % spec["cuda"].libs.link_flags) + args.append(f"--with-cuda-path={spec['cuda'].prefix}") + args.append(f"--with-cuda-libs={spec['cuda'].libs.link_flags}") return args diff --git a/var/spack/repos/builtin/packages/bigdft-spred/package.py b/var/spack/repos/builtin/packages/bigdft-spred/package.py index c0e02da236..14215c3f7f 100644 --- a/var/spack/repos/builtin/packages/bigdft-spred/package.py +++ b/var/spack/repos/builtin/packages/bigdft-spred/package.py @@ -39,9 +39,9 @@ class BigdftSpred(AutotoolsPackage): depends_on("scalapack", when="+scalapack") for vers in ["1.9.0", "1.9.1", "1.9.2", "develop"]: - depends_on("bigdft-futile@{0}".format(vers), when="@{0}".format(vers)) - depends_on("bigdft-psolver@{0}".format(vers), when="@{0}".format(vers)) - depends_on("bigdft-core@{0}".format(vers), when="@{0}".format(vers)) + depends_on(f"bigdft-futile@{vers}", when=f"@{vers}") + depends_on(f"bigdft-psolver@{vers}", when=f"@{vers}") + depends_on(f"bigdft-core@{vers}", when=f"@{vers}") configure_directory = "spred" @@ -50,7 +50,7 @@ def configure_args(self): prefix = self.prefix python_version = spec["python"].version.up_to(2) - pyyaml = join_path(spec["py-pyyaml"].prefix.lib, "python{0}".format(python_version)) + pyyaml = join_path(spec["py-pyyaml"].prefix.lib, f"python{python_version}") openmp_flag = [] if "+openmp" in spec: @@ -63,27 +63,27 @@ def configure_args(self): linalg.append(spec["blas"].libs.ld_flags) args = [ - "FCFLAGS=%s" % " ".join(openmp_flag), - "--with-ext-linalg=%s" % " ".join(linalg), - "--with-pyyaml-path=%s" % pyyaml, - "--with-futile-libs=%s" % spec["bigdft-futile"].libs.ld_flags, - "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags, - "--with-psolver-libs=%s" % spec["bigdft-psolver"].prefix.lib, - "--with-psolver-incs=%s" % spec["bigdft-psolver"].headers.include_flags, - "--with-core-libs=%s" % spec["bigdft-core"].prefix.lib, - "--with-core-incs=%s" % spec["bigdft-core"].headers.include_flags, - "--with-moduledir=%s" % prefix.include, - "--prefix=%s" % prefix, + f"FCFLAGS={' '.join(openmp_flag)}", + f"--with-ext-linalg={' '.join(linalg)}", + f"--with-pyyaml-path={pyyaml}", + f"--with-futile-libs={spec['bigdft-futile'].libs.ld_flags}", + f"--with-futile-incs={spec['bigdft-futile'].headers.include_flags}", + f"--with-psolver-libs={spec['bigdft-psolver'].prefix.lib}", + f"--with-psolver-incs={spec['bigdft-psolver'].headers.include_flags}", + f"--with-core-libs={spec['bigdft-core'].prefix.lib}", + f"--with-core-incs={spec['bigdft-core'].headers.include_flags}", + f"--with-moduledir={prefix.include}", + f"--prefix={prefix}", ] if spec.satisfies("+shared"): args.append("--enable-dynamic-libraries") if "+mpi" in spec: - args.append("CC=%s" % spec["mpi"].mpicc) - args.append("CXX=%s" % spec["mpi"].mpicxx) - args.append("FC=%s" % spec["mpi"].mpifc) - args.append("F90=%s" % spec["mpi"].mpifc) - args.append("F77=%s" % spec["mpi"].mpif77) + args.append(f"CC={spec['mpi'].mpicc}") + args.append(f"CXX={spec['mpi'].mpicxx}") + args.append(f"FC={spec['mpi'].mpifc}") + args.append(f"F90={spec['mpi'].mpifc}") + args.append(f"F77={spec['mpi'].mpif77}") else: args.append("--disable-mpi")