Add a recipe for elk (https://sourceforge.net/projects/elk/)

recipes/elk/build.sh

@@ -0,0 +1,28 @@
+#!/usr/bin/env bash
+
+set -xe
+
+F90_OPTS="-O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch"
+F77_OPTS=$F90_OPTS
+LIB_LPK="lapack.a blas.a"
+LIB_FFT="fftlib.a"
+
+echo > make.inc
+echo "MAKE = make" >> make.inc
+echo "F90 = $F90" >> make.inc
+echo "F90_OPTS = $F90_OPTS" >> make.inc
+echo "F77 = $F77" >> make.inc
+echo "F77_OPTS = $F77_OPTS" >> make.inc
+echo "AR = $AR" >> make.inc
+echo "LIB_SYS = " >> make.inc
+echo "# LAPACK and BLAS libraries" >> make.inc
+echo "LIB_LPK = $LIB_LPK" >> make.inc
+echo "LIB_FFT = $LIB_FFT" >> make.inc
+echo "SRC_OMP = " >> make.inc
+cat make.def >> make.inc
+
+make all
+
+install -m 0755 src/elk ${PREFIX}/bin/
+install -m 0755 src/eos/eos ${PREFIX}/bin/
+install -m 0755 src/spacegroup/spacegroup ${PREFIX}/bin/

recipes/elk/meta.yaml

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+{% set name = "elk" %}
+{% set version = "8.4.21" %}
+
+package:
+  name: {{ name }}
+  version: {{ version }}
+
+source:
+  url: https://sourceforge.net/projects/elk/files/elk-{{ version }}.tgz
+  sha256: 4e04f87a3bf9e16c3839b4b16a222b4ef92d11a18b0b472fb196c23d39bdb4df
+
+build:
+  skip: True  # [not linux]
+  number: 0
+  run_exports:
+    - {{ pin_subpackage(name, max_pin='x') }}
+
+requirements:
+  build:
+    - make
+    - {{ stdlib('c') }}
+    - {{ compiler('c') }}
+    - {{ compiler('fortran') }}
+  host:
+    - perl
+    - libgomp  # [linux]
+    - llvm-openmp  # [osx]
+  run:
+
+test:
+  commands:
+    - elk --help
+
+about:
+  home: https://sourceforge.net/projects/elk/
+  license: GPL-3.0-or-later
+  license_family: GPL3
+  license_file: COPYING
+  summary: An all-electron full-potential linearised augmented-planewave (FP-LAPW) code
+  dev_url: https://sourceforge.net/projects/elk/
+
+extra:
+  recipe-maintainers:
+    - martin-g